1-benzothiophen-7-amine;hydrochloride

C8H8ClNS — CID 71756956

IUPAC1-benzothiophen-7-amine;hydrochloride
SMILESCl.Nc1cccc2ccsc12
InChIInChI=1S/C8H7NS.ClH/c9-7-3-1-2-6-4-5-10-8(6)7;/h1-5H,9H2;1H
InChIKeyOFOPBAAEGYFZKL-UHFFFAOYSA-N
MW185.68 g/mol
LogP2.91
Rot. Bonds

About 1-benzothiophen-7-amine;hydrochloride

1-benzothiophen-7-amine;hydrochloride (PubChem CID 71756956) has the molecular formula C8H8ClNS and a molecular weight of 185.68 g/mol. Its IUPAC name is 1-benzothiophen-7-amine;hydrochloride.

Molecular Properties

Compound Name1-benzothiophen-7-amine;hydrochloride
PubChem CID71756956
Molecular FormulaC8H8ClNS
Molecular Weight185.68 g/mol
Exact Mass185.01
IUPAC Name1-benzothiophen-7-amine;hydrochloride
SMILESCl.Nc1cccc2ccsc12
InChIInChI=1S/C8H7NS.ClH/c9-7-3-1-2-6-4-5-10-8(6)7;/h1-5H,9H2;1H
InChIKeyOFOPBAAEGYFZKL-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-amine;hydrochloride?
The IUPAC name of 1-benzothiophen-7-amine;hydrochloride (CID 71756956) is 1-benzothiophen-7-amine;hydrochloride.
What is the SMILES notation for 1-benzothiophen-7-amine;hydrochloride?
The canonical SMILES for 1-benzothiophen-7-amine;hydrochloride is Cl.Nc1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-amine;hydrochloride?
The InChIKey is OFOPBAAEGYFZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.ClH/c9-7-3-1-2-6-4-5-10-8(6)7;/h1-5H,9H2;1H.
What are the key properties of 1-benzothiophen-7-amine;hydrochloride?
1-benzothiophen-7-amine;hydrochloride has a molecular weight of 185.68 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-amine;hydrochloride is sourced from PubChem (CID 71756956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).